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Twist dynamics of 9-(N-carbazolyl)-anthracene: effects of Intramolecular Vibrational Redistribution and non-adiabatic transitions in coupled bright and dark states

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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

The twist dynamics of 9-(N-carbazolyl)-anthracene (C9A) in the electronically excited bright and dark states S 1 and S X is investigated theoretically. Effects of Intramolecular Vibrational Redistribution (IVR) as well as the diabatic transition S 1 → S X are taken into account. Based on a model hamiltonian and IVR-rates, which have been derived earlier from laser induced fluorescence spectra and life times observed by Monte et al. [1], the Liouville-von Neumann equation is integrated with a dissipative Liouvillian in Lindblad form. The resulting time dependent density matrix yields nearly coherent twist dynamics of this rather large molecule, at least on a timescale of several ps. The corresponding pump-probe spectra are predicted following the approach proposed by Manz et al. [2].

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Authors and Affiliations

  1. Institut für Physikalische und Theoretische Chemie, Freie Universität Berlin, Takustrasse 3, Berlin, D-14195, Germany

    J. Giraud-Girard, J. Manz & Ch. Scheurer

  2. Laboratoire de Chimie Quantique, CNRS URA 505, IRSAMC, Université Paul Sabatier, 118 route de Narbonne, Toulouse Cedex, F-31062, France

    J. Giraud-Girard

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  1. J. Giraud-Girard
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  2. J. Manz
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  3. Ch. Scheurer
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Giraud-Girard, J., Manz, J. & Scheurer, C. Twist dynamics of 9-(N-carbazolyl)-anthracene: effects of Intramolecular Vibrational Redistribution and non-adiabatic transitions in coupled bright and dark states. Z Phys D - Atoms, Molecules and Clusters 39, 291–299 (1997). https://doi.org/10.1007/s004600050139

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  • DOI: https://doi.org/10.1007/s004600050139

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